8018-8944 Screening compound: ethyl 2-[(2-chlorophenyl)formamido]-2-[(2,4-dimethoxyphenyl)amino]-3,3,3-trifluoropropanoate

8018-8944 Screening compound: ethyl 2-[(2-chlorophenyl)formamido]-2-[(2,4-dimethoxyphenyl)amino]-3,3,3-trifluoropropanoate
8018-8944 Screening compound: ethyl 2-[(2-chlorophenyl)formamido]-2-[(2,4-dimethoxyphenyl)amino]-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8944
ethyl 2-[(2-chlorophenyl)formamido]-2-[(2,4-dimethoxyphenyl)amino]-3,3,3-trifluoropropanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8018-8944

Molecular Formula

C20H20ClF3N2O5 (C20 H20 ClF3 N2 O5)

Compound Name

ethyl 2-[(2-chlorophenyl)formamido]-2-[(2,4-dimethoxyphenyl)amino]-3,3,3-trifluoropropanoate

IUPAC name

ethyl 2-[(2-chlorophenyl)formamido]-2-[(24-dimethoxyphenyl)amino]-333-trifluoropropanoate

SMILES

CCOC(C(C(F)(F)F)(NC(c(cccc1)c1Cl)=O)Nc(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C20H20ClF3N2O5/c1-4-31-18(28)19(20(22,23)24,26-17(27)13-7-5-6-8-14(13)21)25-15-10-9-12(29-2)11-16(15)30-3/h5-11,25H,4H2,1-3H3,(H,26,27)/t19-/m0/s1

InChI Key

WAXBSUOVTJSPRH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00789117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.572

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-4.69

Polar Surface Area

68.757

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8018-8944 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-8944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8944?
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What is the minimum amount of 8018-8944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8944
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8018-8944 available by request